Oqmd Structure
GET /third-parties/OqmdStructure/?format=api&ordering=-id&page=351
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216 }, { "id": "oqmd-995850", "created_at": "2022-09-04T15:26:09.220339Z", "updated_at": "2022-09-04T15:26:09.220358Z", "structure_string": "Li1 Ca1 Nb1 Pd1\n1.0\n0.000000 3.364635 3.364635\n3.364635 0.000000 3.364635\n3.364635 3.364635 0.000000\nCa Li Nb Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.750001 0.750001 Li\n0.499999 0.499999 0.499999 Nb\n0.250000 0.250000 0.250000 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Nb", "Pd" ], "chemical_system": "Ca-Li-Nb-Pd", "density": 5.369695376453065, "density_atomic": 0.05250686886272685, "volume": 76.18050907696549, "volume_molar": 11.469243720748599, "formula_full": "Li1 Ca1 Nb1 Pd1", "formula_reduced": "LiCaNbPd", "formula_anonymous": "ABCD", "formation_energy": 0.1694078325, "spacegroup": 216 }, { "id": "oqmd-995849", "created_at": "2022-09-04T15:26:05.998095Z", "updated_at": "2022-09-04T15:26:05.998118Z", "structure_string": "Li1 Ca1 Nb1 Pd1\n1.0\n0.000000 3.860905 3.860905\n3.860905 0.000000 3.860905\n3.860905 3.860905 0.000000\nCa Li Nb Pd\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Nb", "Pd" ], "chemical_system": "Ca-Li-Nb-Pd", "density": 3.5538261334024353, "density_atomic": 0.03475062730108752, "volume": 115.10583579810141, "volume_molar": 17.32958863684034, "formula_full": "Li1 Ca1 Nb1 Pd1", "formula_reduced": "LiCaNbPd", "formula_anonymous": "ABCD", "formation_energy": 0.7373280875, "spacegroup": 216 }, { "id": "oqmd-995848", "created_at": "2022-09-04T15:26:11.015252Z", "updated_at": "2022-09-04T15:26:11.015283Z", "structure_string": "Li1 Ca1 Nb1 Pd1\n1.0\n0.000000 3.413185 3.413185\n3.413185 0.000000 3.413185\n3.413185 3.413185 0.000000\nCa Li Nb Pd\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Li\n0.499999 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Nb", "Pd" ], "chemical_system": "Ca-Li-Nb-Pd", "density": 5.143799579148057, "density_atomic": 0.05029797614643836, "volume": 79.5260626064622, "volume_molar": 11.972928577617196, "formula_full": "Li1 Ca1 Nb1 Pd1", "formula_reduced": "LiCaNbPd", "formula_anonymous": "ABCD", "formation_energy": 0.47003877, "spacegroup": 216 }, { "id": "oqmd-995847", "created_at": "2022-09-04T15:26:04.199313Z", "updated_at": "2022-09-04T15:26:04.199339Z", "structure_string": "Li1 Ca1 Sb1 Pt1\n1.0\n0.000000 3.379044 3.379044\n3.379044 0.000000 3.379044\n3.379044 3.379044 0.000000\nCa Li Pt Sb\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.749999 0.749999 Li\n0.499999 0.499999 0.499999 Pt\n0.250000 0.250000 0.250000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Pt", "Sb" ], "chemical_system": "Ca-Li-Pt-Sb", "density": 7.830246910532651, "density_atomic": 0.051838025957108534, "volume": 77.16343217447464, "volume_molar": 11.61722625198498, "formula_full": "Li1 Ca1 Sb1 Pt1", "formula_reduced": "LiCaSbPt", "formula_anonymous": "ABCD", "formation_energy": -0.67147875875, "spacegroup": 216 }, { "id": "oqmd-995846", "created_at": "2022-09-04T15:26:05.449007Z", "updated_at": "2022-09-04T15:26:05.449035Z", "structure_string": "Li1 Ca1 Sb1 Pt1\n1.0\n0.000000 3.392984 3.392984\n3.392984 0.000000 3.392984\n3.392984 3.392984 0.000000\nCa Li Pt Sb\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Pt\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Pt", "Sb" ], "chemical_system": "Ca-Li-Pt-Sb", "density": 7.734131690929713, "density_atomic": 0.051201721214029716, "volume": 78.12237372410765, "volume_molar": 11.76159827679754, "formula_full": "Li1 Ca1 Sb1 Pt1", "formula_reduced": "LiCaSbPt", "formula_anonymous": "ABCD", "formation_energy": -0.78382061625, "spacegroup": 216 }, { "id": "oqmd-995845", "created_at": "2022-09-04T15:26:05.377872Z", "updated_at": "2022-09-04T15:26:05.377900Z", "structure_string": "Li1 Ca1 Sb1 Pt1\n1.0\n0.000000 3.455764 3.455764\n3.455764 0.000000 3.455764\n3.455764 3.455764 0.000000\nCa Li Pt Sb\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Ca\n0.750001 0.750001 0.750001 Li\n0.499999 0.499999 0.499999 Pt\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Pt", "Sb" ], "chemical_system": "Ca-Li-Pt-Sb", "density": 7.320230718905126, "density_atomic": 0.04846160208667215, "volume": 82.53957417350995, "volume_molar": 12.426623348583439, "formula_full": "Li1 Ca1 Sb1 Pt1", "formula_reduced": "LiCaSbPt", "formula_anonymous": "ABCD", "formation_energy": -0.56314356375, "spacegroup": 216 }, { "id": "oqmd-995844", "created_at": "2022-09-04T15:26:04.601935Z", "updated_at": "2022-09-04T15:26:04.601955Z", "structure_string": "Li1 Ca1 V1 Pt1\n1.0\n0.000000 3.189104 3.189104\n3.189104 0.000000 3.189104\n3.189104 3.189104 0.000000\nCa Li Pt 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"chemical_system": "Ca-Li-Pt-V", "density": 6.966162602199004, "density_atomic": 0.05726258197917071, "volume": 69.85364371894725, "volume_molar": 10.516711876859757, "formula_full": "Li1 Ca1 V1 Pt1", "formula_reduced": "LiCaVPt", "formula_anonymous": "ABCD", "formation_energy": -0.0539060874999997, "spacegroup": 216 }, { "id": "oqmd-995842", "created_at": "2022-09-04T15:26:05.019333Z", "updated_at": "2022-09-04T15:26:05.019359Z", "structure_string": "Li1 Ca1 V1 Pt1\n1.0\n0.000084 3.342502 3.342502\n3.342502 0.000084 3.342502\n3.342502 3.342502 0.000084\nCa Li Pt V\n1 1 1 1\ndirect\n0.249998 0.249998 0.249998 Ca\n0.749999 0.749999 0.749999 Li\n0.500004 0.500004 0.500004 Pt\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Pt", "V" ], "chemical_system": "Ca-Li-Pt-V", "density": 6.515594091022716, "density_atomic": 0.05355886189943547, "volume": 74.68418592446157, "volume_molar": 11.243967004577959, "formula_full": "Li1 Ca1 V1 Pt1", "formula_reduced": "LiCaVPt", "formula_anonymous": "ABCD", "formation_energy": 0.1009420875, "spacegroup": 216 }, { "id": "oqmd-995841", "created_at": "2022-09-04T15:26:05.444949Z", "updated_at": "2022-09-04T15:26:05.444971Z", "structure_string": "Li1 Ca1 Ta1 Pt1\n1.0\n0.000000 3.257745 3.257745\n3.257745 0.000000 3.257745\n3.257745 3.257745 0.000000\nCa Li Pt Ta\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.749999 0.749999 Li\n0.499999 0.499999 0.499999 Pt\n0.250000 0.250000 0.250000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Pt", "Ta" ], "chemical_system": "Ca-Li-Pt-Ta", "density": 10.159221841243985, "density_atomic": 0.05784671948790674, "volume": 69.14826001215553, "volume_molar": 10.410513877557, "formula_full": "Li1 Ca1 Ta1 Pt1", "formula_reduced": "LiCaTaPt", "formula_anonymous": "ABCD", "formation_energy": -0.0324527150000007, "spacegroup": 216 }, { "id": "oqmd-995840", "created_at": "2022-09-04T15:26:05.536189Z", "updated_at": "2022-09-04T15:26:05.536219Z", "structure_string": "Li1 Ca1 Ta1 Pt1\n1.0\n0.000000 3.325404 3.325404\n3.325404 0.000000 3.325404\n3.325404 3.325404 0.000000\nCa Li Pt Ta\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.750001 0.750001 0.750001 Li\n0.250001 0.250001 0.250001 Pt\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Li", "Pt", "Ta" ], "chemical_system": "Ca-Li-Pt-Ta", "density": 9.551651314422058, "density_atomic": 0.05438720631028288, "volume": 73.54670834129107, "volume_molar": 11.072715751648024, "formula_full": "Li1 Ca1 Ta1 Pt1", "formula_reduced": "LiCaTaPt", "formula_anonymous": "ABCD", "formation_energy": -0.0326185975000008, "spacegroup": 216 } ] }